Trisodium fructose 1,6-diphosphate octahydrate

C6H27Na3O20P2CAS 81028-91-3550.18 g/mol

Open in Covalent MOL file
O−PO−OOOOHOHOHOPO−OOHH2OH2OH2OH2OH2OH2OH2OH2ONa+Na+Na+
AlcoholKetonePhosphate

Properties

Molecular formula
C6H27Na3O20P2
Molar mass
550.18 g/mol
Exact mass
550.0264 Da
logP
-10.88Crippen estimate
Polar surface area
463.3 Ų
H-bond donors / acceptors
7 / 8
Rotatable bonds
9
Stereocentres
S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
81028-91-3
SMILES
[O-]P([O-])(=O)OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP([O-])(=O)O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

3 names
  • D-Fructose, 1,6-bis(dihydrogen phosphate), sodium salt, hydrate (1:3:8)
  • D-Fructose, 1,6-bis(dihydrogen phosphate), trisodium salt, octahydrate
  • Fosfructose trisodium octahydrate

Work with Trisodium fructose 1,6-diphosphate octahydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fructose 1,6-diphosphate trisodium salt38099-82-0Anhydrous Fructose 1,6-bisphosphate488-69-7Free acid Calcium fructose diphosphate6055-82-9Salt

Similar compounds

Disodium D-fructose 6-phosphate26177-86-663 % similar 6-Phosphogluconic acid trisodium salt53411-70-453 % similar Sodium glucose 6-phosphate54010-71-849 % similar D-Glucose 6-phosphate disodium salt3671-99-643 % similar Sodium α-glycerophosphate17603-42-840 % similar Barium ribose 5′-phosphate15673-79-737 % similar Dipotassium glucose-6-phosphate5996-17-836 % similar Riboflavin sodium phosphate130-40-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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